ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C16H16F4N2O2 — CID 66602348

IUPACethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)c(CC(C)C)nc2nc1C(F)(F)F
InChIInChI=1S/C16H16F4N2O2/c1-4-24-15(23)10-6-9-7-11(17)12(5-8(2)3)21-14(9)22-13(10)16(18,19)20/h6-8H,4-5H2,1-3H3
InChIKeyJYIUSYRRMWLRGE-UHFFFAOYSA-N
MW344.31 g/mol
LogP4.16
Rot. Bonds4

About ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 66602348) has the molecular formula C16H16F4N2O2 and a molecular weight of 344.31 g/mol. Its IUPAC name is ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID66602348
Molecular FormulaC16H16F4N2O2
Molecular Weight344.31 g/mol
Exact Mass344.11
IUPAC Nameethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)c(CC(C)C)nc2nc1C(F)(F)F
InChIInChI=1S/C16H16F4N2O2/c1-4-24-15(23)10-6-9-7-11(17)12(5-8(2)3)21-14(9)22-13(10)16(18,19)20/h6-8H,4-5H2,1-3H3
InChIKeyJYIUSYRRMWLRGE-UHFFFAOYSA-N
XLogP4.16
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-[ethyl(methyl)amino]-6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66602193
ethyl 7-methylsulfanyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66601976
ethyl 7-(methoxymethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66601804
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
ethyl 8-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224649
ethyl 7-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224642
ethyl 7-chloro-6-fluoro-5-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 86650142
ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680125
ethyl 3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133104053
ethyl 6-amino-5-iodo-2-(trifluoromethyl)pyridine-3-carboxylate
CID 118275238
5-ethoxycarbonyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 90039315
ethyl 2-(bromomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668756

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 66602348) is ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2cc(F)c(CC(C)C)nc2nc1C(F)(F)F.
What is the InChIKey of ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is JYIUSYRRMWLRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2O2/c1-4-24-15(23)10-6-9-7-11(17)12(5-8(2)3)21-14(9)22-13(10)16(18,19)20/h6-8H,4-5H2,1-3H3.
What are the key properties of ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 344.31 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66602348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).